HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 20141913Generated: October 27, 2026
Benzyl 2-[3-phenoxyacetamido-4-(6-nitrobenzothiazol-2-yldithio)-2-azetidinon-1-yl]-3-methyl-3-butenoate
https://huagongshe.com/en/chemical/20141913
Identifiers & Physical Properties
| Molecular formula | C30H26N4O7S3 |
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| Average molar mass | 650.8 g/mol |
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| Monoisotopic mass | 650.0963627 g/mol |
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| SMILES | C=C(C)C(C(=O)OCc1ccccc1)N1C(=O)C(NC(=O)COc2ccccc2)C1SSc1nc2ccc([N+](=O)[O-])cc2s1 |
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| InChIKey | WWXTZWUJKRMAIW-UHFFFAOYSA-N |
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| PubChem CID | 20141913 |
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Chemical & Physical Properties
| XLogP | 6.5 |
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| Topological polar surface area | 222 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 11 |
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| Rotatable bonds | 13 |
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| Heavy atoms | 44 |
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| Formal charge | 0 |
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| Complexity | 1,070 |
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![Benzyl 2-[3-phenoxyacetamido-4-(6-nitrobenzothiazol-2-yldithio)-2-azetidinon-1-yl]-3-methyl-3-butenoate molecular structure](/img/chemical/20141913.png)